General Information of the Compound
| Compound ID |
CP0393643
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| Compound Name |
tert-butyl N-[[4-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]cyclohexyl]methyl]carbamate
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| Structure |
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| Formula |
C21H30N8O3
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| Molecular Weight |
442.524
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| Canonical SMILES |
CC(C)(C)OC(=O)NCC1CCC(CNc2nc(N)n3nc(nc3n2)-c2ccco2)CC1
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| InChI |
InChI=1S/C21H30N8O3/c1-21(2,3)32-20(30)24-12-14-8-6-13(7-9-14)11-23-18-26-17(22)29-19(27-18)25-16(28-29)15-5-4-10-31-15/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,24,30)(H3,22,23,25,26,27,28)
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| InChIKey |
UCZLQVGNTQBEQA-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b